mp-570076/Tl2CdSnTe4/harm

Harmonic properties

../../_images/fig_bandos_pr7093.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10072.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7093.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26867.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times12652.png

(a) Computation time